(2S)-2-Amino-5-[[(2R)-2-Amino-3-(2-Chloroethylsulfanyl)Propanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
[CAS# 75607-61-3]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-Amino-3-(2-Chloroethylsulfanyl)Propanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-(2-Chloroethylsulfanyl)Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-(2-Chloroethylthio)-1-Oxopropyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-(2-Chloroethylthio)Propanoyl]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₂H₂₀ClN₃O₆S
• Molecular Weight: 369.82
• CAS Registry Number: 75607-61-3
• SMILES: [C@H](C(N(CC(=O)O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CSCCCl
• InChI: 1S/C12H20ClN3O6S/c13-3-4-23-6-8(15)11(20)16(5-10(18)19)9(17)2-1-7(14)12(21)22/h7-8H,1-6,14-15H2,(H,18,19)(H,21,22)/t7-,8-/m0/s1
• InChIKey: JGKYZELIJHNIMG-YUMQZZPRSA-N

Properties

• Density: 1.474g/cm³ (Cal.)
• Boiling point: 656.547°C at 760 mmHg (Cal.)
• Flash point: 350.867°C (Cal.)